6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C25H30N6O — CID 20960886

IUPAC6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cccc(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)c1
InChIInChI=1S/C25H30N6O/c1-2-32-22-7-5-6-20(16-22)18-29-11-9-23-21(19-29)17-27-25(28-23)31-14-12-30(13-15-31)24-8-3-4-10-26-24/h3-8,10,16-17H,2,9,11-15,18-19H2,1H3
InChIKeyOQVMYZUIOHPOMG-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.16
Rot. Bonds6

About 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 20960886) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID20960886
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cccc(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)c1
InChIInChI=1S/C25H30N6O/c1-2-32-22-7-5-6-20(16-22)18-29-11-9-23-21(19-29)17-27-25(28-23)31-14-12-30(13-15-31)24-8-3-4-10-26-24/h3-8,10,16-17H,2,9,11-15,18-19H2,1H3
InChIKeyOQVMYZUIOHPOMG-UHFFFAOYSA-N
XLogP3.16
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 20960886) is 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1cccc(CN2CCc3nc(N4CCN(c5ccccn5)CC4)ncc3C2)c1.
What is the InChIKey of 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is OQVMYZUIOHPOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-2-32-22-7-5-6-20(16-22)18-29-11-9-23-21(19-29)17-27-25(28-23)31-14-12-30(13-15-31)24-8-3-4-10-26-24/h3-8,10,16-17H,2,9,11-15,18-19H2,1H3.
What are the key properties of 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 430.56 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxyphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 20960886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).